CAS 125109-85-5 Florhydral (HCID 86209)

이름 및 식별자

우선 이름: Florhydral
IUPAC: 3-(3-propan-2-ylphenyl)butanal
현지명: β-메틸-3-(1-메틸에틸)벤젠프로파날 (CAS NO. 125109-85-5)
영어명: ISOPROPYLPHENYLBUTANAL
분자식: C13H18O
분자량: 190.28

이름 및 동의어

Isopropylphenylbutanal125109-85-5Florhydral3-(3-Isopropylphenyl)butanalbeta-Methyl-3-(1-methylethyl)benzenepropanalDTXSID7051632Z92022479YBenzenepropanal, beta-methyl-3-(1-methylethyl)-RefChem:149863DTXCID8030184412-050-4FlorhydralR

이름 더 보기

β-메틸-3-(1-메틸에틸)벤젠프로파날(CASNO.125109-85-5)아이소프로필페닐부탄알이소프로필페닐부탄알FlorhydraFlorhydral 87542433-(3-Isopropylphenyl) butanalISOPROPYLPHENYLBUTANAL USP/EP/BP3-[3-(1-Methylethyl)-phenyl]-butanal

3-(3-propan-2-ylphenyl)butanalBenzenepropanal, .beta.-methyl-3-(1-methylethyl)-(S)--Methyl-3-(1-methylethyl)benzenepropanalfloral butanalUNII-Z92022479Y(R)--Methyl-3-(1-methylethyl)benzenepropanalButanal, 3-(3-(1-methylethyl)phenyl)-EC 412-050-4

데이터베이스 식별자

CAS: 125109-85-5
PubChem CID: 86209
DTXSID: DTXSID7051632
UNII: Z92022479Y
EC Number: 412-050-4、641-004-8
Nikkaji: J1.563.138D

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 174

실험 및 물리화학적 성질

Physical DescriptionLiquid

물리화학적 성질

끓는 점: 251.3 · 251.3±9.0 °C(Predicted)
밀도: 0.935 · 0.935±0.06 g/cm3(Predicted)
증기압: 0.65 Pa · 0.65Pa at 20℃
저장 조건: Hygroscopic, Refrigerator, under inert atmosphere
냄새: 100 %에서 · 100.00%에서. 꽃 무늬의 녹색 머게 린든 꽃 은방울꽃 신선한
냄새 유형: 꽃향기
수용성: 40 mg/L · 40mg/L at 20℃
Henry's Law Constant: 4.9 · 4.9×10-1 mol/(m3Pa) at 25℃, Dupeux et al. (2022)
화장품 원료 기능: 향수향기
LogP: 3.1 at · 3.1 at 35℃
EPA: -3 · Benzenepropanal, .beta.-methyl-3-(1-methylethyl)- (125109-85-5)

화학적 성질 · 1건

ISOPROPYLPHENYLBUTANAL is a clear colorless to pale yellow liquid with a powerful fresh, green, floral, lily-of-the-valley-like odor. It is recommended for use in all areas of perfumery. The preparation is effected by hydroformylation of 1,3-diisopropenylbenzene and subsequent hydrogenation.

안전 및 규제

GHS 분류

GHS Classification · 6건

H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 5건

Chemical: Benzenepropanal, .beta.-methyl-3-(1-methylethyl)-；Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.

Benzenepropanal, .beta.-methyl-3-(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanal, .beta.-methyl-3-(1-methylethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 31-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30111；Status: No longer Valid Update: 10-05-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/6040；Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9059

Î²-Methyl-3-(1-methylethyl)benzenepropanal: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories · 4건

Aquatic Chronic 2 (100%)

Skin Irrit. 2 (32.5%)；Aquatic Chronic 2 (67.5%)

Hazardous to the aquatic environment (chronic) - category 2

Aquatic Chronic 2

규제 정보

Regulatory Information · 5건

Chemical: Benzenepropanal, .beta.-methyl-3-(1-methylethyl)-；Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.

Benzenepropanal, .beta.-methyl-3-(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanal, .beta.-methyl-3-(1-methylethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 31-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30111；Status: No longer Valid Update: 10-05-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/6040；Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9059

Î²-Methyl-3-(1-methylethyl)benzenepropanal: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

안전 데이터

tsca: TSCA listed
risk_code: 51/53
hazard_code: N
safety_code: 61
기존화학 물질: 2010-3-4251

화학 및 산업

용도 및 제조

U.S. Production2023: 8,797,521 lb；2022: 9,035,083 lb；2021: 9,262,314 lb；2020: 9,790,752 lb

Consumer UsesFragrance

Industry UsesFragrance

Household ProductsInformation on 39 consumer products that contain Isopropylphenylbutanal in the following categories is provided:；• Auto Products；• Commercial / Institutional；• Inside the Home

Use Classification · 2건

Fragrance Ingredients

Cosmetics -> Masking

General Manufacturing Information · 2건

Soap, Cleaning Compound, and Toilet Preparation Manufacturing；All Other Chemical Product and Preparation Manufacturing

Benzenepropanal, .beta.-methyl-3-(1-methylethyl)-: ACTIVE